5Z8G
BRD4 Bromodomain 1 with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.868, 47.796, 79.454 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.957 - 1.701 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.21110 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.960 | 1.762 |
High resolution limit [Å] | 1.701 | 1.701 |
Number of reflections | 14140 | |
<I/σ(I)> | 17.48 | |
Completeness [%] | 98.0 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 4M sodium formate, 15% glycerol |